make sure the names of methods (vba names) are correct, meaning the methods are exposed by your simulator to Excel interface,
easy to verify that debugging VBA in Excel,
with Excel one can simply calculate net calorific value for mixtures from composition (which you should know) and a table of values for the different components, if you need to convert or estimate accuracy see std. as ISO 6976,
there are examples at cheresources...
As alternative, with Excel, you may adopt a process library (I have Prode Properties but there are several available) ,
a process library allows different ways to exchange data,
for example wiith Prode you can use the macro = StrHC(stream) to calculate calorific value.